2-[2-(3-chlorophenyl)ethyl]pyrrolidine

C12H16ClN — CID 82077914

IUPAC2-[2-(3-chlorophenyl)ethyl]pyrrolidine
SMILESClc1cccc(CCC2CCCN2)c1
InChIInChI=1S/C12H16ClN/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h1,3-4,9,12,14H,2,5-8H2
InChIKeyXWGLAPZFESQPBY-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.02
Rot. Bonds3

About 2-[2-(3-chlorophenyl)ethyl]pyrrolidine

2-[2-(3-chlorophenyl)ethyl]pyrrolidine (PubChem CID 82077914) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethyl]pyrrolidine
PubChem CID82077914
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-[2-(3-chlorophenyl)ethyl]pyrrolidine
SMILESClc1cccc(CCC2CCCN2)c1
InChIInChI=1S/C12H16ClN/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h1,3-4,9,12,14H,2,5-8H2
InChIKeyXWGLAPZFESQPBY-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
(2S)-2-[2-(3-chlorophenyl)ethyl]piperazine
CID 58860729
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
2-[(3-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071001
2-[2-(3-isothiocyanatophenyl)ethyl]pyrrolidine
CID 87889178
N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
CID 62480473
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
2-[2-(3-nitrophenyl)ethyl]pyrrolidine
CID 104703830
1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethyl]pyrrolidine?
The IUPAC name of 2-[2-(3-chlorophenyl)ethyl]pyrrolidine (CID 82077914) is 2-[2-(3-chlorophenyl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethyl]pyrrolidine?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethyl]pyrrolidine is Clc1cccc(CCC2CCCN2)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethyl]pyrrolidine?
The InChIKey is XWGLAPZFESQPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h1,3-4,9,12,14H,2,5-8H2.
What are the key properties of 2-[2-(3-chlorophenyl)ethyl]pyrrolidine?
2-[2-(3-chlorophenyl)ethyl]pyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethyl]pyrrolidine is sourced from PubChem (CID 82077914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).